(3R)-3-[[(2S)-6-Amino-2-Methanesulfonamidohexanoyl]Amino]-4-[1-[[(2S)-1-Hydroxy-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Carbamoyl]Cyclopentyl]Butanoic Acid
[CAS# 129981-36-8]

Identification

• Name: (3R)-3-[[(2S)-6-Amino-2-Methanesulfonamidohexanoyl]Amino]-4-[1-[[(2S)-1-Hydroxy-3-(4-Hydroxyphenyl)-1-Oxopropan-2-Yl]Carbamoyl]Cyclopentyl]Butanoic Acid
• Synonyms: (3R)-3-[[(2S)-6-Amino-2-Methanesulfonamido-Hexanoyl]Amino]-4-[1-[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxo-Ethyl]Carbamoyl]Cyclopentyl]Butanoic Acid; (3R)-3-[[(2S)-6-Amino-2-Methanesulfonamido-1-Oxohexyl]Amino]-4-[1-[[[(1S)-2-Hydroxy-1-[(4-Hydroxyphenyl)Methyl]-2-Oxoethyl]Amino]-Oxomethyl]Cyclopentyl]Butanoic Acid; (3R)-3-[[(2S)-6-Amino-2-Methanesulfonamido-Hexanoyl]Amino]-4-[1-[[(1S)-2-Hydroxy-1-(4-Hydroxybenzyl)-2-Keto-Ethyl]Carbamoyl]Cyclopentyl]Butyric Acid
• Molecular Formula: C₂₆H₄₀N₄O₉S
• Molecular Weight: 584.68
• CAS Registry Number: 129981-36-8
• SMILES: [C@H](NC([C@@H](N[S](=O)(=O)C)CCCCN)=O)(CC(=O)O)CC1(CCCC1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)O
• InChI: 1S/C26H40N4O9S/c1-40(38,39)30-20(6-2-5-13-27)23(34)28-18(15-22(32)33)16-26(11-3-4-12-26)25(37)29-21(24(35)36)14-17-7-9-19(31)10-8-17/h7-10,18,20-21,30-31H,2-6,11-16,27H2,1H3,(H,28,34)(H,29,37)(H,32,33)(H,35,36)/t18-,20-,21-/m0/s1
• InChIKey: DGTDHMSPXWLPNJ-JBACZVJFSA-N

Properties

• Density: 1.343g/cm³ (Cal.)